C232H140N20 — CID 163508153
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole (PubChem CID 163508153) has the molecular formula C232H140N20 and a molecular weight of 3207.81 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole.
| Compound Name | 9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole |
|---|---|
| PubChem CID | 163508153 |
| Molecular Formula | C232H140N20 |
| Molecular Weight | 3207.81 g/mol |
| Exact Mass | 3205.16 |
| IUPAC Name | 9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-n4c5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c5c6ccccc6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-n4c5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c5c6ccccc6ccc54)cc32)cc1 |
| InChI | InChI=1S/4C58H35N5/c1-2-16-39(17-3-1)61-50-24-12-8-20-43(50)45-30-27-38(34-53(45)61)56-58(60-49-23-11-10-22-48(49)59-56)63-52-33-28-36-14-4-6-18-41(36)55(52)47-32-29-40(35-54(47)63)62-51-25-13-9-21-44(51)46-31-26-37-15-5-7-19-42(37)57(46)62;1-2-16-39(17-3-1)61-50-24-12-9-20-43(50)45-30-27-38(34-53(45)61)56-47-22-8-11-23-49(47)59-58(60-56)63-52-33-28-36-14-4-6-18-41(36)55(52)48-32-29-40(35-54(48)63)62-51-25-13-10-21-44(51)46-31-26-37-15-5-7-19-42(37)57(46)62;1-2-17-40(18-3-1)61-50-24-12-8-20-43(50)45-29-26-39(34-53(45)61)57-58(60-49-23-11-10-22-48(49)59-57)63-52-31-27-36-14-6-7-19-42(36)56(52)46-30-28-41(35-55(46)63)62-51-25-13-9-21-44(51)47-32-37-15-4-5-16-38(37)33-54(47)62;1-2-17-40(18-3-1)61-50-24-12-9-20-43(50)45-29-26-39(34-53(45)61)57-46-22-8-11-23-49(46)59-58(60-57)63-52-31-27-36-14-6-7-19-42(36)56(52)47-30-28-41(35-55(47)63)62-51-25-13-10-21-44(51)48-32-37-15-4-5-16-38(37)33-54(48)62/h4*1-35H |
| InChIKey | DAJAMHLUNIMJHD-UHFFFAOYSA-N |
| XLogP | 59.58 |
| TPSA | 162.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3207.81 |
| LogP ≤ 5 | 59.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |